N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide

C12H21N5O2 — CID 76981244

IUPACN'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nccn(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-9(2)8-17(6-4-10(13)15-19)11-12(18)16(3)7-5-14-11/h5,7,9,19H,4,6,8H2,1-3H3,(H2,13,15)
InChIKeyGARXJBDOPCVBQB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.38
Rot. Bonds6

About N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide

N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide (PubChem CID 76981244) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
PubChem CID76981244
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nccn(C)c1=O
InChIInChI=1S/C12H21N5O2/c1-9(2)8-17(6-4-10(13)15-19)11-12(18)16(3)7-5-14-11/h5,7,9,19H,4,6,8H2,1-3H3,(H2,13,15)
InChIKeyGARXJBDOPCVBQB-UHFFFAOYSA-N
XLogP0.38
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76981233
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
N'-hydroxy-3-[(1-methylimidazol-2-yl)-propan-2-ylamino]propanimidamide
CID 76936484
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[(3,5-difluoro-2-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103958279
3-[(5-bromopyrimidin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 77009104
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76994064
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide (CID 76981244) is N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)c1nccn(C)c1=O.
What is the InChIKey of N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide?
The InChIKey is GARXJBDOPCVBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)8-17(6-4-10(13)15-19)11-12(18)16(3)7-5-14-11/h5,7,9,19H,4,6,8H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide has a molecular weight of 267.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 76981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).